SCHEMBL19980650

SCHEMBL19980650

CC(C)N(C(=O)c1cc(F)ccc1-n1cc(C2CN(C)C2)c2ccncc21)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
KDM4C Q9H3R0 5/20 0.33
HTR6 P50406 2/20 0.32
HTR1B P28222 1/20 0.32
ROCK2 O75116 2/20 0.32
PRKG1 Q13976 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25135370 0.93 HTR6 (0.41) DRD2HTR6HTR1B
SCHEMBL19980628 0.91 PTGDR2 (0.34) DRD2PTGDR2HCRTR1HCRTR2KDM4C
SCHEMBL19972527 0.89 MEN1 (0.32) DRD2PTGDR2HCRTR1HCRTR2KDM4C
SCHEMBL26036581 0.89 RORC (0.34) DRD2PTGDR2HCRTR1HCRTR2KDM4C
SCHEMBL19980685 0.88 KDM4C (0.36) PTGDR2KDM4CMEN1KMT2A
SCHEMBL19972555 0.88 HTR6 (0.38) DRD2HTR6MEN1KMT2A
SCHEMBL29985977 0.88 HTR6 (0.38) DRD2HTR6MEN1KMT2A
SCHEMBL31001721 0.87 GPBAR1 (0.40)
SCHEMBL23515867 0.87 HCRTR1 (0.32) PTGDR2HCRTR1HCRTR2
SCHEMBL19972612 0.87 GPBAR1 (0.40)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4230627-A2 INHIBITORS OF THE MENIN-MLL INTERACTION Vitae Pharmaceuticals, LLC (US) 2023-08-23 EP disclosed
EP-3512850-B1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS LLC (US) 2023-04-12 EP disclosed
WO-2018053267-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, INC. (US) 2018-03-22 WO disclosed